9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

C10H10ClNO3 — CID 115036384

IUPAC9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
SMILESO=C(O)C1CCCc2c(Cl)ccc(=O)n21
InChIInChI=1S/C10H10ClNO3/c11-6-4-5-9(13)12-7(6)2-1-3-8(12)10(14)15/h4-5,8H,1-3H2,(H,14,15)
InChIKeyWVDHJXQFFJWYMV-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.46
Rot. Bonds1

About 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid (PubChem CID 115036384) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid.

Molecular Properties

Compound Name9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
PubChem CID115036384
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
SMILESO=C(O)C1CCCc2c(Cl)ccc(=O)n21
InChIInChI=1S/C10H10ClNO3/c11-6-4-5-9(13)12-7(6)2-1-3-8(12)10(14)15/h4-5,8H,1-3H2,(H,14,15)
InChIKeyWVDHJXQFFJWYMV-UHFFFAOYSA-N
XLogP1.46
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115019326
1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117248007
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247940
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3,8-dicarboxylic acid
CID 118319727
2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117128276
3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693098
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149418
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247620
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
The IUPAC name of 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid (CID 115036384) is 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid.
What is the SMILES notation for 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
The canonical SMILES for 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid is O=C(O)C1CCCc2c(Cl)ccc(=O)n21.
What is the InChIKey of 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
The InChIKey is WVDHJXQFFJWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-6-4-5-9(13)12-7(6)2-1-3-8(12)10(14)15/h4-5,8H,1-3H2,(H,14,15).
What are the key properties of 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid is sourced from PubChem (CID 115036384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).